6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C23H28N4O — CID 126924136

IUPAC6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cc(N2CCCC2Cn2nc(C(C)(C)C)ccc2=O)nc2ccccc12
InChIInChI=1S/C23H28N4O/c1-16-14-21(24-19-10-6-5-9-18(16)19)26-13-7-8-17(26)15-27-22(28)12-11-20(25-27)23(2,3)4/h5-6,9-12,14,17H,7-8,13,15H2,1-4H3
InChIKeyXQMVJIOCBMHYGM-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.07
Rot. Bonds3

About 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126924136) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126924136
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cc(N2CCCC2Cn2nc(C(C)(C)C)ccc2=O)nc2ccccc12
InChIInChI=1S/C23H28N4O/c1-16-14-21(24-19-10-6-5-9-18(16)19)26-13-7-8-17(26)15-27-22(28)12-11-20(25-27)23(2,3)4/h5-6,9-12,14,17H,7-8,13,15H2,1-4H3
InChIKeyXQMVJIOCBMHYGM-UHFFFAOYSA-N
XLogP4.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126924136) is 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1cc(N2CCCC2Cn2nc(C(C)(C)C)ccc2=O)nc2ccccc12.
What is the InChIKey of 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is XQMVJIOCBMHYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-14-21(24-19-10-6-5-9-18(16)19)26-13-7-8-17(26)15-27-22(28)12-11-20(25-27)23(2,3)4/h5-6,9-12,14,17H,7-8,13,15H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 376.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126924136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).